3-[4-(cyclohexylsulfamoyl)phenyl]-N-(pyridin-3-ylmethyl)propanamide

C21H27N3O3S — CID 1090374

IUPAC3-[4-(cyclohexylsulfamoyl)phenyl]-N-(pyridin-3-ylmethyl)propanamide
SMILESO=C(CCc1ccc(S(=O)(=O)NC2CCCCC2)cc1)NCc1cccnc1
InChIInChI=1S/C21H27N3O3S/c25-21(23-16-18-5-4-14-22-15-18)13-10-17-8-11-20(12-9-17)28(26,27)24-19-6-2-1-3-7-19/h4-5,8-9,11-12,14-15,19,24H,1-3,6-7,10,13,16H2,(H,23,25)
InChIKeyIDYFFWRSZBCNID-UHFFFAOYSA-N
MW401.53 g/mol
LogP2.94
Rot. Bonds8

About 3-[4-(cyclohexylsulfamoyl)phenyl]-N-(pyridin-3-ylmethyl)propanamide

3-[4-(cyclohexylsulfamoyl)phenyl]-N-(pyridin-3-ylmethyl)propanamide (PubChem CID 1090374) has the molecular formula C21H27N3O3S and a molecular weight of 401.53 g/mol. Its IUPAC name is 3-[4-(cyclohexylsulfamoyl)phenyl]-N-(pyridin-3-ylmethyl)propanamide.

Molecular Properties

Compound Name3-[4-(cyclohexylsulfamoyl)phenyl]-N-(pyridin-3-ylmethyl)propanamide
PubChem CID1090374
Molecular FormulaC21H27N3O3S
Molecular Weight401.53 g/mol
Exact Mass401.18
IUPAC Name3-[4-(cyclohexylsulfamoyl)phenyl]-N-(pyridin-3-ylmethyl)propanamide
SMILESO=C(CCc1ccc(S(=O)(=O)NC2CCCCC2)cc1)NCc1cccnc1
InChIInChI=1S/C21H27N3O3S/c25-21(23-16-18-5-4-14-22-15-18)13-10-17-8-11-20(12-9-17)28(26,27)24-19-6-2-1-3-7-19/h4-5,8-9,11-12,14-15,19,24H,1-3,6-7,10,13,16H2,(H,23,25)
InChIKeyIDYFFWRSZBCNID-UHFFFAOYSA-N
XLogP2.94
TPSA88.16 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500401.53
LogP ≤ 52.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-[4-(cyclohexylsulfamoyl)phenyl]-N-(pyridin-3-ylmethyl)propanamide?
The IUPAC name of 3-[4-(cyclohexylsulfamoyl)phenyl]-N-(pyridin-3-ylmethyl)propanamide (CID 1090374) is 3-[4-(cyclohexylsulfamoyl)phenyl]-N-(pyridin-3-ylmethyl)propanamide.
What is the SMILES notation for 3-[4-(cyclohexylsulfamoyl)phenyl]-N-(pyridin-3-ylmethyl)propanamide?
The canonical SMILES for 3-[4-(cyclohexylsulfamoyl)phenyl]-N-(pyridin-3-ylmethyl)propanamide is O=C(CCc1ccc(S(=O)(=O)NC2CCCCC2)cc1)NCc1cccnc1.
What is the InChIKey of 3-[4-(cyclohexylsulfamoyl)phenyl]-N-(pyridin-3-ylmethyl)propanamide?
The InChIKey is IDYFFWRSZBCNID-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H27N3O3S/c25-21(23-16-18-5-4-14-22-15-18)13-10-17-8-11-20(12-9-17)28(26,27)24-19-6-2-1-3-7-19/h4-5,8-9,11-12,14-15,19,24H,1-3,6-7,10,13,16H2,(H,23,25).
What are the key properties of 3-[4-(cyclohexylsulfamoyl)phenyl]-N-(pyridin-3-ylmethyl)propanamide?
3-[4-(cyclohexylsulfamoyl)phenyl]-N-(pyridin-3-ylmethyl)propanamide has a molecular weight of 401.53 g/mol, XLogP of 2.94, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-(cyclohexylsulfamoyl)phenyl]-N-(pyridin-3-ylmethyl)propanamide is sourced from PubChem (CID 1090374), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).